2-(2-hydroxyethoxy)ethyl hydrogen sulfate

C4H10O6S — CID 15300697

IUPAC2-(2-hydroxyethoxy)ethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOCCO
InChIInChI=1S/C4H10O6S/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKeyCKKQNAYCAVMZGX-UHFFFAOYSA-N
MW186.18 g/mol
LogP-1.19
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl hydrogen sulfate

2-(2-hydroxyethoxy)ethyl hydrogen sulfate (PubChem CID 15300697) has the molecular formula C4H10O6S and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl hydrogen sulfate
PubChem CID15300697
Molecular FormulaC4H10O6S
Molecular Weight186.18 g/mol
Exact Mass186.02
IUPAC Name2-(2-hydroxyethoxy)ethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOCCO
InChIInChI=1S/C4H10O6S/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKeyCKKQNAYCAVMZGX-UHFFFAOYSA-N
XLogP-1.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 88766044
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
CID 87747917
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87749418
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl hydrogen sulfate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl hydrogen sulfate (CID 15300697) is 2-(2-hydroxyethoxy)ethyl hydrogen sulfate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl hydrogen sulfate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl hydrogen sulfate is O=S(=O)(O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl hydrogen sulfate?
The InChIKey is CKKQNAYCAVMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H,6,7,8).
What are the key properties of 2-(2-hydroxyethoxy)ethyl hydrogen sulfate?
2-(2-hydroxyethoxy)ethyl hydrogen sulfate has a molecular weight of 186.18 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl hydrogen sulfate is sourced from PubChem (CID 15300697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).